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Re:AI in drug discovery is overhyped: examples from AstraZen... by _untom_ on Monday January 08, 2018 @02:15PM (#16099225)
This is the paper from the winners of the Tox21 Challenge: https://www.frontiersin.org/articles/10.3389/fenvs.2015.0008.... (fun fact: one of the authors is the inventor of the LSTM)

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